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(3aS*,7aR*)-2-(propan-2-ylidene)octahydro-1H-inden-1-one
SpectraBase Compound ID 3b9SViEIfb0
InChI InChI=1S/C12H18O/c1-8(2)11-7-9-5-3-4-6-10(9)12(11)13/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKey AOXCNLWEHNATPQ-VHSXEESVSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54ZAN4HFWi
Name (3aS*,7aR*)-2-(propan-2-ylidene)octahydro-1H-inden-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8(2)11-7-9-5-3-4-6-10(9)12(11)13/h9-10H,3-7H2,1-2H3/t9-,10+/m0/s1
InChIKey AOXCNLWEHNATPQ-VHSXEESVSA-N
Literature Reference DOI 10.1002/anie.201205913
Molecular Weight 178.275 g/mol
SMILES C1[C@]2(CC(C([C@@]2(CCC1)[H])=O)=C(C)C)[H]
SPLASH splash10-016r-9400000000-fc0227809f71cbe78392
Source of Spectrum ACI-51-SMS-45-38
Synonyms (3aS,7aR)-2-(propan-2-ylidene)octahydro-1H-inden-1-one
Wiley ID 1780807